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OTAVA-ZINC05516220

 MMsINC code: MMs02599124
Type: Neutral
Formula: C11H18N2O5S2
SMILES:   S(=O)(=O)(Nc1ccc(NS(=O)(=O)CC)cc1OC)CC
InChI:   InChI=1/C11H18N2O5S2/c1-4-19(14,15)12-9-6-7-10(11(8-9)18-3)13-20(16,17)5-2/h6-8,12-13H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=36.1236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.406 g/mol  logS: -1.76564  SlogP: 1.2184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110054  Sterimol/B1: 2.86722  Sterimol/B2: 2.87781  Sterimol/B3: 4.94062
  Sterimol/B4: 7.45943  Sterimol/L: 15.0256 
 
 Surface and Volume Properties
  Accessible surface: 530.774  Positive charged surface: 332.359  Negative charged surface: 198.414  Volume: 268.75
  Hydrophobic surface: 320.472  Hydrophilic surface: 210.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.